(NE)-N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine
Formula:C10H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine |
| MolecularFormula | C10H15N3O |
| Smiles | O/N=C1/C(Cn2cncc2)CCCC1 |
| InChI | InChI=1S/C10H15N3O/c14-12-10-4-2-1-3-9(10)7-13-6-5-11-8-13/h5-6,8-9,14H,1-4,7H2/t9-/m1/s1 |
| InChIK | YAJDOQSLRRKPHY-SECBINFHSA-N |
| TotalMolweight | 193.249 |
| Molweight | 193.249 |
| MonoisotopicMass | 193.121512 |
| CLogP | 1.4657 |
| CLogS | -1.452 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 158.34 |
| Relative PSA | 0.26809 |
| PolarSurfaceArea | 50.41 |
| Druglikeness | -1.0215 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (NE)-N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine | 2 - (NE)-N-[2-(imidazol-1-ylmethyl)cyclohexylidene]hydroxylamine
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